[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-[(4-dimethylaminophenyl)methyl]-ethyl-azanium

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-[(4-dimethylaminophenyl)methyl]-ethyl-azanium Openeye Name: (4-dimethylaminophenyl)methyl-ethyl-[2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]ammonium CAS Name: [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-ethylammonium IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-ethylazanium Traditional Name: [4-(dimethylamino)benzyl]-ethyl-[2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl]ammonium Formula: C18H31N4O2+ MolecularWeight: 335.46434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)C[NH+](CC)CC1=CC=C(C=C1)N(C)C

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)C[NH+](CC)CC1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C18H30N4O2/c1-6-14(3)19-18(24)20-17(23)13-22(7-2)12-15-8-10-16(11-9-15)21(4)5/h8-11,14H,6-7,12-13H2,1-5H3,(H2,19,20,23,24)/p+1/t14-/m0/s1